MCULE-1441617774
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
---|---|---|---|---|
1 mg | 5 USD | 98 | 22 working days | Get Quote |
5 mg | 7 USD | 98 | 20 working days | Get Quote |
10 mg | 7 USD | 98 | 20 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
-
MCULE-3939535663
- Component type: Main
Name | File |
---|---|
SDF | MCULE-1441617774.sdf |
SMILES | MCULE-1441617774.smiles |
Standard InChI | MCULE-1441617774.inchi |
InChIKey | MCULE-1441617774.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867588902 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875748369 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-851935916 | AmBeed | In stock | N/A | As is | in stock |
P-865910938 | Angene | Building Blocks in stock | 97 | As is | 47.79 g |
P-869391019 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-893235264 | Biosynth | In Stock | 95 | As is | in stock |
P-856008979 | Key Organics | Biochemicals | 97 | As is | unavailable |
P-855017367 | Toronto Research | In stock | 90 | As is | in stock |
P-868514185 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
P-867553997 | A2B Chem | Predominantly Building Block in stock | 98 | As a main component | in stock |
P-875712544 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-869191815 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-505352362 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
P-505389391 | AK Scientific | Building Blocks | 99 | As a main component | in stock |
P-580269319 | Aldlab Chemicals | Building Block Custom Synth | 95 | As a main component | by synthesis |
P-606915477 | AmBeed | In stock | N/A | As a main component | in stock |
P-596942612 | Angene | Building Blocks in stock | 98 | As a main component | 397.5 g |
P-864142033 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
P-868545533 | Axon Medchem | Axon predominantly SC catalog | 99 | As a main component | in stock |
P-893219331 | Biosynth | In Stock | 95 | As a main component | in stock |
P-893235188 | Biosynth | In Stock | 95 | As a main component | in stock |
P-500143833 | Chemtos | In-stock Products | 95 | As a main component | in stock |
P-860799580 | Chiralstar | Chiralstar Building Blocks | 98 | As a main component | in stock |
P-505513536 | Hangzhou Apichem | Building Blocks in stock | 95 | As a main component | in stock |
P-524441566 | Key Organics | Biochemicals | 97 | As a main component | 421 mg |
P-617608746 | Specs | Screening Compounds | 90 | As a main component | 283 mg |
P-869118543 | TargetMol | Screening Compounds - synthesis | 95 | As a main component | by synthesis |
P-892288831 | TargetMol | In Stock BB | 95 | As a main component | unavailable |
P-888633603 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | 200 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 312.404 |
logP | 2.3766 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 9 |
PSA | 90.65 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 84.5171 |
Atoms | 50 |
Rings | 1 |
Heavy atoms | 22 |
Hydrogen atoms | 28 |
Heteroatoms | 6 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 3 |
R/S chiral centers | 3 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |